3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one

C17H17N3O2 — CID 134810854

IUPAC3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(C)c3)nc2c1=O
InChIInChI=1S/C17H17N3O2/c1-12-4-3-5-13(10-12)14-6-7-15-16(19-14)17(21)20(11-18-15)8-9-22-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXSBRKEWRSKKPIP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one

3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810854) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810854
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(-c3cccc(C)c3)nc2c1=O
InChIInChI=1S/C17H17N3O2/c1-12-4-3-5-13(10-12)14-6-7-15-16(19-14)17(21)20(11-18-15)8-9-22-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyXSBRKEWRSKKPIP-UHFFFAOYSA-N
XLogP2.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810854) is 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(-c3cccc(C)c3)nc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is XSBRKEWRSKKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-4-3-5-13(10-12)14-6-7-15-16(19-14)17(21)20(11-18-15)8-9-22-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).